4-chloro-6-[(2-methyl-2-phenylpropyl)amino]pyrimidine-5-carbaldehyde

C15H16ClN3O — CID 106193197

IUPAC4-chloro-6-[(2-methyl-2-phenylpropyl)amino]pyrimidine-5-carbaldehyde
SMILESCC(C)(CNc1ncnc(Cl)c1C=O)c1ccccc1
InChIInChI=1S/C15H16ClN3O/c1-15(2,11-6-4-3-5-7-11)9-17-14-12(8-20)13(16)18-10-19-14/h3-8,10H,9H2,1-2H3,(H,17,18,19)
InChIKeyGQQJKDJPIYAIDN-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.33
Rot. Bonds5

About 4-chloro-6-[(2-methyl-2-phenylpropyl)amino]pyrimidine-5-carbaldehyde

4-chloro-6-[(2-methyl-2-phenylpropyl)amino]pyrimidine-5-carbaldehyde (PubChem CID 106193197) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-chloro-6-[(2-methyl-2-phenylpropyl)amino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[(2-methyl-2-phenylpropyl)amino]pyrimidine-5-carbaldehyde
PubChem CID106193197
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name4-chloro-6-[(2-methyl-2-phenylpropyl)amino]pyrimidine-5-carbaldehyde
SMILESCC(C)(CNc1ncnc(Cl)c1C=O)c1ccccc1
InChIInChI=1S/C15H16ClN3O/c1-15(2,11-6-4-3-5-7-11)9-17-14-12(8-20)13(16)18-10-19-14/h3-8,10H,9H2,1-2H3,(H,17,18,19)
InChIKeyGQQJKDJPIYAIDN-UHFFFAOYSA-N
XLogP3.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2-methyl-2-phenylpropyl)amino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[(2-methyl-2-phenylpropyl)amino]pyrimidine-5-carbaldehyde (CID 106193197) is 4-chloro-6-[(2-methyl-2-phenylpropyl)amino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[(2-methyl-2-phenylpropyl)amino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[(2-methyl-2-phenylpropyl)amino]pyrimidine-5-carbaldehyde is CC(C)(CNc1ncnc(Cl)c1C=O)c1ccccc1.
What is the InChIKey of 4-chloro-6-[(2-methyl-2-phenylpropyl)amino]pyrimidine-5-carbaldehyde?
The InChIKey is GQQJKDJPIYAIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-15(2,11-6-4-3-5-7-11)9-17-14-12(8-20)13(16)18-10-19-14/h3-8,10H,9H2,1-2H3,(H,17,18,19).
What are the key properties of 4-chloro-6-[(2-methyl-2-phenylpropyl)amino]pyrimidine-5-carbaldehyde?
4-chloro-6-[(2-methyl-2-phenylpropyl)amino]pyrimidine-5-carbaldehyde has a molecular weight of 289.77 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(2-methyl-2-phenylpropyl)amino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 106193197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).